4-hydroxyazetidine-2,3-dione

C3H3NO3 — CID 56621119

IUPAC4-hydroxyazetidine-2,3-dione
SMILESO=C1NC(O)C1=O
InChIInChI=1S/C3H3NO3/c5-1-2(6)4-3(1)7/h2,6H,(H,4,7)
InChIKeyCWNJRDZSDGSDLL-UHFFFAOYSA-N
MW101.06 g/mol
LogP-2.00
Rot. Bonds

About 4-hydroxyazetidine-2,3-dione

4-hydroxyazetidine-2,3-dione (PubChem CID 56621119) has the molecular formula C3H3NO3 and a molecular weight of 101.06 g/mol. Its IUPAC name is 4-hydroxyazetidine-2,3-dione.

Molecular Properties

Compound Name4-hydroxyazetidine-2,3-dione
PubChem CID56621119
Molecular FormulaC3H3NO3
Molecular Weight101.06 g/mol
Exact Mass101.01
IUPAC Name4-hydroxyazetidine-2,3-dione
SMILESO=C1NC(O)C1=O
InChIInChI=1S/C3H3NO3/c5-1-2(6)4-3(1)7/h2,6H,(H,4,7)
InChIKeyCWNJRDZSDGSDLL-UHFFFAOYSA-N
XLogP-2.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.06
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-hydroxyazetidine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyazetidine-2,3-dione?
The IUPAC name of 4-hydroxyazetidine-2,3-dione (CID 56621119) is 4-hydroxyazetidine-2,3-dione.
What is the SMILES notation for 4-hydroxyazetidine-2,3-dione?
The canonical SMILES for 4-hydroxyazetidine-2,3-dione is O=C1NC(O)C1=O.
What is the InChIKey of 4-hydroxyazetidine-2,3-dione?
The InChIKey is CWNJRDZSDGSDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO3/c5-1-2(6)4-3(1)7/h2,6H,(H,4,7).
What are the key properties of 4-hydroxyazetidine-2,3-dione?
4-hydroxyazetidine-2,3-dione has a molecular weight of 101.06 g/mol, XLogP of -2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyazetidine-2,3-dione is sourced from PubChem (CID 56621119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).